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Abstract
The dislocation emission surface in (k I, k II, k III) space is calculated by means of atomistic simulations for the {111}⟨110⟩ crack in Al. For each relevant combination of loading mode, the precise nature of the dislocations and of the emission process are determined. When appropriate, the analytic formulas proposed by Rice are used by calculating the unstable stacking energy including the effect of the mixed mode loading. Quantitative agreement with the full atomistic calculation is found in the case where dislocations glide in the crack plane. This clearly identifies when and how ab initio data can be introduced in the calculation.